1-[(5R)-4-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[(5R)-4-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(5R)-4-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(5R)-4-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(5R)-4-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[(5R)-4-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methyl-piperazine-1,4-diium Formula: C22H28N2S+2 MolecularWeight: 352.53612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C2CC3=CC=CC=C3SC4=CC=CC(=C24)C5CC5

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@@H]2CC3=CC=CC=C3SC4=CC=CC(=C24)C5CC5

InChI

InChI=1S/C22H26N2S/c1-23-11-13-24(14-12-23)19-15-17-5-2-3-7-20(17)25-21-8-4-6-18(22(19)21)16-9-10-16/h2-8,16,19H,9-15H2,1H3/p+2/t19-/m1/s1